[5-(pyridin-3-yl)thiophen-2-yl]methanamine

• ChemBase ID: 101482
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: c1(sc(cc1)CN)c1cnccc1
• Canonical SMILES: NCc1ccc(s1)c1cccnc1
• InChI: InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2
• InChIKey: JHLIGYPHPBLDDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyridin-3-yl)thiophen-2-yl]methanamine
• IUPAC Traditional name: [5-(pyridin-3-yl)thiophen-2-yl]methanamine
• Synonyms: (5-pyrid-3-ylthien-2-yl)methylamine

Database IDs

• CAS Number: 837376-47-3
• MDL Number: MFCD09879956
• PubChem SID: 162089186
• PubChem CID: 11206290

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4498985
• LogD (pH = 7.4): -0.009458994
• Log P: 1.4381547
• Molar Refractivity: 54.1847 cm^3
• Polarizability: 22.435947 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%